Atomistry » Magnesium » PDB 6ftt-6g6z » 6fw3
Atomistry »
  Magnesium »
    PDB 6ftt-6g6z »
      6fw3 »

Magnesium in PDB 6fw3: Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007:
3.1.4.53;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007, PDB code: 6fw3 was solved by A.K.Singh, D.G.Brown, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 65.23 / 1.78
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 99.110, 110.717, 161.490, 90.00, 90.00, 90.00
R / Rfree (%) 17.7 / 21.4

Other elements in 6fw3:

The structure of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007 also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007 (pdb code 6fw3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007, PDB code: 6fw3:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 6fw3

Go back to Magnesium Binding Sites List in 6fw3
Magnesium binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:13.0
occ:1.00
 OD1 A:ASP201 2.1 15.5 1.0
O A:HOH714 2.1 15.7 1.0
O A:HOH664 2.1 15.9 1.0
O A:HOH617 2.2 16.0 1.0
O A:HOH779 2.2 19.1 1.0
O A:HOH685 2.2 17.4 1.0
CG A:ASP201 3.1 15.4 1.0
OD2 A:ASP201 3.5 15.7 1.0
ZN A:ZN501 3.9 20.5 1.0
OE2 A:GLU230 4.0 20.5 1.0
NE2 A:HIS233 4.0 14.2 1.0
CD2 A:HIS200 4.1 16.9 1.0
O A:HIS200 4.1 15.1 1.0
O A:HOH715 4.2 21.4 1.0
OG1 A:THR271 4.2 17.1 1.0
CD2 A:HIS233 4.3 14.8 1.0
O A:HOH769 4.3 18.6 1.0
CB A:ASP201 4.5 15.8 1.0
C24 A:E8H523 4.5 23.2 1.0
NE2 A:HIS200 4.5 16.8 1.0
CD2 A:HIS204 4.6 19.1 1.0
OD2 A:ASP318 4.6 21.8 1.0
O A:HOH671 4.6 27.7 1.0
O A:THR271 4.7 21.1 1.0
CG A:GLU230 4.7 17.6 1.0
C23 A:E8H523 4.8 24.6 1.0
CA A:ASP201 4.8 15.8 1.0
NE2 A:HIS204 4.8 18.1 1.0
CB A:THR271 4.8 19.4 1.0
CD A:GLU230 4.8 19.6 1.0
C A:HIS200 4.9 15.8 1.0
NE2 A:HIS160 4.9 20.7 1.0
CD2 A:HIS160 5.0 20.7 1.0

Magnesium binding site 2 out of 4 in 6fw3

Go back to Magnesium Binding Sites List in 6fw3
Magnesium binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg502

b:13.8
occ:1.00
 OD1 B:ASP201 2.1 19.3 1.0
O B:HOH626 2.1 17.7 1.0
O B:HOH634 2.1 16.9 1.0
O B:HOH745 2.1 17.1 1.0
O B:HOH610 2.2 17.4 1.0
O B:HOH735 2.2 15.6 1.0
CG B:ASP201 3.1 17.9 1.0
OD2 B:ASP201 3.5 16.4 1.0
ZN B:ZN501 3.9 22.5 1.0
OE2 B:GLU230 3.9 21.1 1.0
O B:HIS200 4.1 17.0 1.0
O B:HOH711 4.2 17.6 1.0
NE2 B:HIS233 4.2 18.3 1.0
O B:HOH771 4.2 16.3 1.0
CD2 B:HIS200 4.2 17.7 1.0
OG1 B:THR271 4.2 22.5 1.0
CD2 B:HIS233 4.3 19.5 1.0
O B:THR271 4.4 21.3 1.0
CB B:ASP201 4.4 17.7 1.0
C24 B:E8H517 4.5 22.1 1.0
OD2 B:ASP318 4.5 19.4 1.0
CD2 B:HIS204 4.6 16.8 1.0
NE2 B:HIS200 4.6 17.0 1.0
C23 B:E8H517 4.6 21.7 1.0
O B:HOH642 4.7 21.5 1.0
NE2 B:HIS160 4.7 20.4 1.0
CB B:THR271 4.7 21.1 1.0
CA B:ASP201 4.8 18.4 1.0
NE2 B:HIS204 4.8 16.7 1.0
CG B:GLU230 4.8 18.4 1.0
CD B:GLU230 4.8 19.3 1.0
CD2 B:HIS160 4.8 19.4 1.0
C B:HIS200 5.0 17.1 1.0

Magnesium binding site 3 out of 4 in 6fw3

Go back to Magnesium Binding Sites List in 6fw3
Magnesium binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg504

b:14.1
occ:1.00
 O C:HOH687 2.1 14.8 1.0
OD1 C:ASP201 2.1 18.1 1.0
O C:HOH723 2.1 16.1 1.0
O C:HOH621 2.1 18.7 1.0
O C:HOH711 2.2 15.0 1.0
O C:HOH617 2.2 18.6 1.0
CG C:ASP201 3.1 17.0 1.0
OD2 C:ASP201 3.5 16.7 1.0
ZN C:ZN503 3.9 23.3 1.0
O C:HIS200 4.1 16.3 1.0
OE2 C:GLU230 4.1 20.4 1.0
CD2 C:HIS200 4.1 16.4 1.0
O C:HOH730 4.2 18.4 1.0
O C:HOH693 4.2 19.4 1.0
OG1 C:THR271 4.2 17.9 1.0
NE2 C:HIS233 4.3 15.8 1.0
CD2 C:HIS233 4.3 15.4 1.0
O C:THR271 4.5 20.2 1.0
CB C:ASP201 4.5 16.3 1.0
C24 C:E8H518 4.5 24.5 1.0
OD2 C:ASP318 4.6 21.0 1.0
CD2 C:HIS204 4.6 15.5 1.0
NE2 C:HIS200 4.6 18.2 1.0
CB C:THR271 4.7 20.4 1.0
O C:HOH667 4.7 20.7 1.0
NE2 C:HIS160 4.8 19.5 1.0
C23 C:E8H518 4.8 24.3 1.0
CG C:GLU230 4.8 18.3 1.0
NE2 C:HIS204 4.8 15.6 1.0
CD2 C:HIS160 4.8 18.8 1.0
CA C:ASP201 4.9 18.1 1.0
CD C:GLU230 4.9 19.3 1.0
C C:HIS200 5.0 16.4 1.0

Magnesium binding site 4 out of 4 in 6fw3

Go back to Magnesium Binding Sites List in 6fw3
Magnesium binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Human Phosphodiesterase 4D2 Catalytic Domain with Inhibitor Npd-007 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg504

b:11.7
occ:1.00
 OD1 D:ASP201 2.1 16.3 1.0
O D:HOH657 2.1 14.6 1.0
O D:HOH788 2.1 18.6 1.0
O D:HOH709 2.2 14.2 1.0
O D:HOH610 2.2 14.2 1.0
O D:HOH666 2.2 13.0 1.0
CG D:ASP201 3.1 17.5 1.0
OD2 D:ASP201 3.5 16.0 1.0
ZN D:ZN503 3.9 19.4 1.0
OE2 D:GLU230 4.0 20.0 1.0
NE2 D:HIS233 4.1 14.0 1.0
O D:HOH734 4.1 19.0 1.0
O D:HOH782 4.1 19.1 1.0
CD2 D:HIS200 4.2 14.2 1.0
O D:HIS200 4.2 15.1 1.0
OG1 D:THR271 4.2 17.4 1.0
CD2 D:HIS233 4.4 13.8 1.0
C24 D:E8H518 4.4 20.9 1.0
OD2 D:ASP318 4.5 19.3 1.0
CB D:ASP201 4.5 16.3 1.0
NE2 D:HIS200 4.6 15.2 1.0
C23 D:E8H518 4.6 20.1 1.0
O D:THR271 4.6 18.8 1.0
CD2 D:HIS204 4.6 17.3 1.0
CG D:GLU230 4.7 16.5 1.0
O D:HOH684 4.7 23.4 1.0
NE2 D:HIS160 4.8 21.0 1.0
CB D:THR271 4.8 19.3 1.0
CD D:GLU230 4.8 19.8 1.0
CA D:ASP201 4.8 15.8 1.0
CD2 D:HIS160 4.9 20.2 1.0
NE2 D:HIS204 4.9 16.9 1.0
C D:HIS200 5.0 16.1 1.0

Reference:

I.G.Salado, C.Moreno, G.Sakaine, A.K.Singh, A.R.Blaazer, M.Siderius, A.Matheeussen, S.Gul, L.Maes, R.Leurs, D.G.Brown, K.Augustyns. HPDE4D2 Structure with Inhibitor Npd-007 To Be Published.
Page generated: Tue Oct 1 00:53:02 2024

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy